Systematic comparison of force fields fo
โ
Michael Patra; Mikko Karttunen
๐
Article
๐
2004
๐
John Wiley and Sons
๐
English
โ 198 KB
In this article we compare different force fields that are widely used (Gromacs, Charmm-22/x-Plor, Charmm-27, Amber-1999, OPLS-AA) in biophysical simulations containing aqueous NaCl. We show that the uncertainties of the microscopic parameters of, in particular, sodium, and, to a lesser extent, chlo